Prana, V.; Rotureau, P.; André, D.; Fayet, G.; Adamo, C. Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides. Mol. Inform. 2017, 36, 1700024.
Compound
| ID: | T22 | |
|---|---|---|
| Name: | BIS(4-TERT-BUTYLCYCLOHEXYL) PEROXYDICARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 15520-11-3 | |
| InChi Code: | InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -615.109 |
experimental value |
| -888 |
Eq4: Model for organic peroxides (Training set) |